(5S)-5-methyl-5-prop-2-enylpyrrolidine-2,4-dione

C8H11NO2 — CID 177221104

IUPAC(5S)-5-methyl-5-prop-2-enylpyrrolidine-2,4-dione
SMILESC=CC[C@]1(C)NC(=O)CC1=O
InChIInChI=1S/C8H11NO2/c1-3-4-8(2)6(10)5-7(11)9-8/h3H,1,4-5H2,2H3,(H,9,11)/t8-/m0/s1
InChIKeyHECBKEMGXNWHGK-QMMMGPOBSA-N
MW153.18 g/mol
LogP0.41
Rot. Bonds2

About (5S)-5-methyl-5-prop-2-enylpyrrolidine-2,4-dione

(5S)-5-methyl-5-prop-2-enylpyrrolidine-2,4-dione (PubChem CID 177221104) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is (5S)-5-methyl-5-prop-2-enylpyrrolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-methyl-5-prop-2-enylpyrrolidine-2,4-dione
PubChem CID177221104
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name(5S)-5-methyl-5-prop-2-enylpyrrolidine-2,4-dione
SMILESC=CC[C@]1(C)NC(=O)CC1=O
InChIInChI=1S/C8H11NO2/c1-3-4-8(2)6(10)5-7(11)9-8/h3H,1,4-5H2,2H3,(H,9,11)/t8-/m0/s1
InChIKeyHECBKEMGXNWHGK-QMMMGPOBSA-N
XLogP0.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (5S)-5-methyl-5-prop-2-enylpyrrolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-Difluoro-1-azaspiro[4.4]non-7-ene-2,4-dione
CID 176013849
5,5-Bis(prop-2-enyl)pyrrolidin-2-one
CID 138965083
3-Ethenyl-5,5-dimethylpyrrolidine-2,4-dione
CID 59956973
3-Pent-4-enoylpyrrolidine-2,5-dione
CID 122423754
5,5-Dimethyl-3-prop-2-enylpyrrolidin-2-one
CID 139389114
(5R)-5-acetyl-5-ethenylpyrrolidin-2-one
CID 143028313
Ethane;5-ethyl-5-prop-2-enylpyrrolidin-2-one
CID 164536295
5-Ethyl-5-prop-2-enylpyrrolidin-2-one
CID 164536296
5,5-Diethylpyrrolidine-2,4-dione
CID 164990016
(5R)-5-ethyl-5-prop-2-enylpyrrolidin-2-one
CID 167119867
(5S)-5-ethyl-5-prop-2-enylpyrrolidin-2-one
CID 167119870
(3S)-5,5-dimethyl-4-propan-2-yl-3-prop-2-enoylpyrrolidin-2-one
CID 175603424

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-5-prop-2-enylpyrrolidine-2,4-dione?
The IUPAC name of (5S)-5-methyl-5-prop-2-enylpyrrolidine-2,4-dione (CID 177221104) is (5S)-5-methyl-5-prop-2-enylpyrrolidine-2,4-dione.
What is the SMILES notation for (5S)-5-methyl-5-prop-2-enylpyrrolidine-2,4-dione?
The canonical SMILES for (5S)-5-methyl-5-prop-2-enylpyrrolidine-2,4-dione is C=CC[C@]1(C)NC(=O)CC1=O.
What is the InChIKey of (5S)-5-methyl-5-prop-2-enylpyrrolidine-2,4-dione?
The InChIKey is HECBKEMGXNWHGK-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H11NO2/c1-3-4-8(2)6(10)5-7(11)9-8/h3H,1,4-5H2,2H3,(H,9,11)/t8-/m0/s1.
What are the key properties of (5S)-5-methyl-5-prop-2-enylpyrrolidine-2,4-dione?
(5S)-5-methyl-5-prop-2-enylpyrrolidine-2,4-dione has a molecular weight of 153.18 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-5-prop-2-enylpyrrolidine-2,4-dione is sourced from PubChem (CID 177221104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).